Estradiene dione-3-keta Estra-5(10),9(11)-diene-3,17-dione, cyclic 3-(1,2-ethanediyl acetal)
CAS 5571-36-8 MFCD08062585
化学结构图
SMILES: C[C@]12CC=C3C4=C(CC[C@H]3[C@@H]1CCC2=O)CC1(CC4)OCCO1
化学属性
| Mol. Formula | C20H26O3 |
|---|---|
| Mol. Weight | 314.42 |
| Melting Point | 152-154°C |
| Density | |
| Boiling Point | 488.1°C at 760 mmHg |
别名和识别编码
| Chemical Name | Estra-5(10),9(11)-diene-3,17-dione 3-Ethylene Ketal |
|---|---|
| CAS Number | 5571-36-8 |
| Synonym | (8S,13S,14S)-13-Methyl-1,2,6,7,8,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17(4H)-one {LY} (8S,13S,14S)-13-Methyl-1,2,6,7,8,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17(4H)-one {} {LY} (8S,13S,14S)-13-Methyl-1,2,6,7,8,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17(4H)-one {} {} {LY} (8S,13S,14S)-13-Methyl-1,2,6,7,8,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17(4H)-one {} {} {} {LY} (8S,13S,14S)-13-Methyl-1,2,6,7,8,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17(4H)-one {} {} {} {} {LY} (8S,13S,14S)-13-Methyl-1,2,6,7,8,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17(4H)-one {} {} {} {} {} {LY} (8S,13S,14S)-13-Methyl-1,2,6,7,8,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17(4H)-one {} {} {} {} {} {} {LY} (8S,13S,14S)-13-Methyl-1,2,6,7,8,12,13,14,15,16- |
| MDL Number | MFCD08062585 |
| Reaxys-RN | 6154775 |
| Chemical Name Translation | Estra-5(10),9(11)-diene-3,17-dione, cyclic 3-(1,2-ethanediyl acetal) |
| PubChem Substance ID | 7076399 |
| EC Number | |
| Beilstein Registry Number | |
| LabNetwork Molecule ID | LN00200909 |
| InChI | InChI=1S/C20H26O3/c1-19-8-6-15-14-7-9-20(22-10-11-23-20)12-13(14)2-3-16(15)17(19)4-5-18(19)21/h6,16-17H,2-5,7-12H2,1H3/t16-,17+,19+/m1/s1 |
| Canonical SMILES | O=C1CC[C@@]2([H])[C@]3([H])CCC4=C(CCC5(OCCO5)C4)C3=CC[C@]12C |
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分类
- Intermediates
- Pharmaceuticals
- Intermediates & Fine Chemicals,
产品应用
- Mifepristone intermediate; antiprogestational antiglucocorticoid antagonist steroidal spirooxazole.
相关文献及参考
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安全信息
- H302 Harmful if swallowed 吞食有害
- H350 May cause cancer 可能致癌
- H351 Suspected of causing cancer 怀疑致癌
- H360 May damage fertility or the unborn child 可能对生育能力或未出生婴儿造成伤害
- H372 Causes damage to organs through prolonged or repeated exposure 长期或频繁接触会损伤器官
- H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
- H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
- H413 Maycauselonglastingharmfuleffectstoaquaticlife 可能对水生生物造成长期持续有害影响。
- P201 Obtain special instructions before use. 使用前获取专门指示。
- P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
- P203
- P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
- P273 Avoid release to the environment. 避免释放到环境中。
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P281 Use personal protective equipment as required. 使用所需的个人防护装备。
- P301+P312
- P301+P317
- P308 IF exposed or concerned: 如果接触或涉及
- P308+P313
- P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服
- P318
- P319
- P330 Rinse mouth. 漱口
- P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
GHS Symbol
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